Potassium Cation → Fenleuton

HRID 691565Notes

Reaction equation

HRID 691565 reaction equation
[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([C:13]#[C:14][CH:15]([CH3:16])[NH:17][OH:18])[cH:10][cH:11][cH:12]2)[cH:19][cH:20]1.[K+:24].[N-:21]=[C:22]=[O:23].[OH2:31]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([C:13]#[C:14][CH:15]([CH3:16])[N:17]([OH:18])[C:22]([NH2:21])=[O:23])[cH:10][cH:11][cH:12]2)[cH:19][cH:20]1

Participants

6

Reactant 5

HCID 813Potassium CationHCID 962WaterHCID 8857Ethyl AcetateHCID 105034IsocyanateHCID 107545733-Butyn-2-amine, 4-[3-(4-fluorophenoxy)phenyl]-N-hydroxy-

Product 1

HCID 72059Fenleuton

Sources & evidence

ORD record
ord-4ec159738def4952855bd55ba51818f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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